N,N-dimethyldithiolan-3-amine

C5H11NS2 — CID 88799846

IUPACN,N-dimethyldithiolan-3-amine
SMILESCN(C)C1CCSS1
InChIInChI=1S/C5H11NS2/c1-6(2)5-3-4-7-8-5/h5H,3-4H2,1-2H3
InChIKeyFULAVGJGHQWXBW-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.66
Rot. Bonds1

About N,N-dimethyldithiolan-3-amine

N,N-dimethyldithiolan-3-amine (PubChem CID 88799846) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is N,N-dimethyldithiolan-3-amine.

Molecular Properties

Compound NameN,N-dimethyldithiolan-3-amine
PubChem CID88799846
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC NameN,N-dimethyldithiolan-3-amine
SMILESCN(C)C1CCSS1
InChIInChI=1S/C5H11NS2/c1-6(2)5-3-4-7-8-5/h5H,3-4H2,1-2H3
InChIKeyFULAVGJGHQWXBW-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldithiolan-3-amine?
The IUPAC name of N,N-dimethyldithiolan-3-amine (CID 88799846) is N,N-dimethyldithiolan-3-amine.
What is the SMILES notation for N,N-dimethyldithiolan-3-amine?
The canonical SMILES for N,N-dimethyldithiolan-3-amine is CN(C)C1CCSS1.
What is the InChIKey of N,N-dimethyldithiolan-3-amine?
The InChIKey is FULAVGJGHQWXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-6(2)5-3-4-7-8-5/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyldithiolan-3-amine?
N,N-dimethyldithiolan-3-amine has a molecular weight of 149.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldithiolan-3-amine is sourced from PubChem (CID 88799846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).